NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-beta-trans-p-coumaroyloxy-2-alpha-hydroxyolean-12-en-28-oic acid
NPACT-IdNPACT00126
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHZOKBIFSQAIBDH-GNRWNHDQSA-N
InChi1S/C40H58O4/c1-24(2)27-13-14-28-30(41)23-40(8)29(36(27)28)15-16-33-38(6)20-19-34(37(4,5)32(38)18-21-39(33,40)7)44-35(42)17-12-26-11-10-25(3)31(22-26)43-9/h10-12,17,22,27-30,32-34,36,41H,1,13-16,18-21,23H2,2-9H3/b17-12+/t27-,28+,29+,30-,32-,33+,34-,36-,38-
SMILESC1[C@@H]([C@H](C([C@@H]2[C@@]1([C@H]1[C@@](CC2)([C@@H]2C(=CC1)[C@H]1[C@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)(C)C)OC(=O)/C=C/c1ccc(cc1)O)O
SMARTO[C@H]1C[C@]2([#6])[C@H](CC[C@@]3([#6])[C@H]4CC[C@@]5(CC[C@@]([#6])([#6])C[C@H]5C4=CC[C@@H]23)C(O)=O)[C@]([#6])([#6])[C@@H]1OC(=O)C=CC1=CC=C(O)C=C1
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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